Vitas-M small molecule compound
methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK020987
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)c1cccs1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H22N2O7S MW 470.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O7S/c1-11-19(23(28)32-3)20(13-8-15(25(29)30)22(27)17(10-13)31-2)21-14(24-11)7-12(9-16(21)26)18-5-4-6-33-18/h4-6,8,10,12,20,24,27H,7,9H2,1-3H3InChIKey
CDAKRYFWDCSFBS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)c1cccs1
InChI=1SC23H22N2O7Sc11119(23(28)323)20(13815(25(29)30)22(27)17(1013)312)2114(2411)712(916(21)26)185463318h4681012202427H79H213H3
methyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD02188585
STK020987
ZINC000019943793
ZINC000019943806
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